getting started with aiida
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Saptarshi Ghosh Dastider
Jun 16, 2021, 8:04:11 AM6/16/21
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hello, i just installed aiida quantum mobile to use quantum espresso. can anyone help me with the procedure, how to write files for DFT calculations?
Pezhman Zarabadi-Poor
Jun 17, 2021, 10:40:43 AM6/17/21
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Hi,
The quickest and shortest answer that I could come up with for your question is referring you to the aiida-core[1] and aiida-qunatumespresso[2] documentation.
I would suggest starting with aiida-core itself and related publications [3,4,5]. These would help you get more familiar with the objective of using AiiDA for managing calculations.
Meanwhile, I also suggest attending the upcoming virtual workshop [6] if you are interested.
I hope this helps.
Best regards,
Pezhman
On Wed, Jun 16, 2021 at 1:04 PM Saptarshi Ghosh Dastider <saptars...@gmail.com> wrote:
hello, i just installed aiida quantum mobile to use quantum espresso. can anyone help me with the procedure, how to write files for DFT calculations?
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AiiDA is supported by the NCCR MARVEL (http://nccr-marvel.ch/), funded by the Swiss National Science Foundation, and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/).
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Dr. Pezhman Zarabadi-Poor
Research Associate
Department of Chemistry
University of Bath
Bath BA2 7AY
United Kingdom
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